4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide

C15H14F3N3O2 — CID 136564667

IUPAC4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide
SMILESO=C(NC1CCc2nc[nH]c2C1)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C15H14F3N3O2/c16-11-6-9(23-15(17)18)2-3-10(11)14(22)21-8-1-4-12-13(5-8)20-7-19-12/h2-3,6-8,15H,1,4-5H2,(H,19,20)(H,21,22)
InChIKeyUBOGAXDOPVLTIJ-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.44
Rot. Bonds4

About 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide

4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide (PubChem CID 136564667) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide
PubChem CID136564667
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide
SMILESO=C(NC1CCc2nc[nH]c2C1)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C15H14F3N3O2/c16-11-6-9(23-15(17)18)2-3-10(11)14(22)21-8-1-4-12-13(5-8)20-7-19-12/h2-3,6-8,15H,1,4-5H2,(H,19,20)(H,21,22)
InChIKeyUBOGAXDOPVLTIJ-UHFFFAOYSA-N
XLogP2.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide
CID 138996238
2-(difluoromethoxy)-4-methoxy-N-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]benzamide
CID 124728391
5-chloro-2-(difluoromethoxy)-N-(4-hydroxycyclohexyl)benzamide
CID 111744162
2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71912680
3-benzyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrrolidine-1-carboxamide
CID 136543805
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
2-fluoro-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 103603318
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
4-(difluoromethoxy)-2-fluoro-N-[2-(2H-triazol-4-yl)propan-2-yl]benzamide
CID 138053966
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2-fluoro-4-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767118

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide (CID 136564667) is 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide is O=C(NC1CCc2nc[nH]c2C1)c1ccc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide?
The InChIKey is UBOGAXDOPVLTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-11-6-9(23-15(17)18)2-3-10(11)14(22)21-8-1-4-12-13(5-8)20-7-19-12/h2-3,6-8,15H,1,4-5H2,(H,19,20)(H,21,22).
What are the key properties of 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide?
4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide has a molecular weight of 325.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 136564667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).